Crystallography Open Database

Information card for entry 4346552

Preview

Coordinates	4346552.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[DMPyr][TMS-Se], 5
Chemical name	N,N-Dimethylpyrrolidinium-trimethylsilylselenolate
Formula	C9 H23 N Se Si
Calculated formula	C9 H23 N Se Si
SMILES	[Se-][Si](C)(C)C.[N+]1(C)(CCCC1)C
Title of publication	Synthesis of organic (trimethylsilyl)chalcogenolate salts Cat[TMS-E] (E = S, Se, Te): the methylcarbonate anion as a desilylating agent.
Authors of publication	Finger, Lars H.; Scheibe, Benjamin; Sundermeyer, Jörg
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	19
Pages of publication	9568 - 9575
a	12.25 ± 0.0008 Å
b	10.8215 ± 0.0007 Å
c	19.3331 ± 0.0012 Å
α	90°
β	90.166 ± 0.003°
γ	90°
Cell volume	2562.9 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.036
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0674
Weighted residual factors for all reflections included in the refinement	0.0692
Goodness-of-fit parameter for all reflections included in the refinement	1.117
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
255316 (current)	2020-08-14	cif/4 Fixing Z values and formulae	4346552.cif
231834	2019-11-23	cif/ Adding structures of 4346552, 4346553, 4346554, 4346555, 4346556 via cif-deposit CGI script.	4346552.cif